N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

C23H21F3N8OS — CID 59507811

IUPACN-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C23H21F3N8OS/c1-13-17(15-11-28-20(27)31-18(15)23(24,25)26)30-21(34-7-9-35-10-8-34)32-19(13)33-22-29-16(12-36-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H2,27,28,31)(H,29,30,32,33)
InChIKeyVUXIGJPIPHRKMT-UHFFFAOYSA-N
MW514.54 g/mol
LogP4.55
Rot. Bonds5

About N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 59507811) has the molecular formula C23H21F3N8OS and a molecular weight of 514.54 g/mol. Its IUPAC name is N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID59507811
Molecular FormulaC23H21F3N8OS
Molecular Weight514.54 g/mol
Exact Mass514.15
IUPAC NameN-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C23H21F3N8OS/c1-13-17(15-11-28-20(27)31-18(15)23(24,25)26)30-21(34-7-9-35-10-8-34)32-19(13)33-22-29-16(12-36-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H2,27,28,31)(H,29,30,32,33)
InChIKeyVUXIGJPIPHRKMT-UHFFFAOYSA-N
XLogP4.55
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (CID 59507811) is N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is Cc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)nc1C(F)(F)F.
What is the InChIKey of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is VUXIGJPIPHRKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8OS/c1-13-17(15-11-28-20(27)31-18(15)23(24,25)26)30-21(34-7-9-35-10-8-34)32-19(13)33-22-29-16(12-36-22)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H2,27,28,31)(H,29,30,32,33).
What are the key properties of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 514.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59507811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).